Dichloromethane → Trifluoroacetic acid

HRID 1127077Notes

Reaction equation

HRID 1127077 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][CH:21]([n:24]2[n:25][cH:26][c:27]3[c:28]2[n:29][cH:30][n:31][c:32]3[O:33][c:34]2[cH:35][cH:36][c:37](-[n:40]3[n:41][n:42][n:43][c:44]3[CH3:45])[cH:38][cH:39]2)[CH2:22][CH2:23]1.[Cl:1][CH2:2][Cl:3].[Cl:46][CH2:47][Cl:48].[F:4][C:5]([C:6](=[O:7])[OH:8])([F:9])[F:10]>>[F:4][C:5]([C:6](=[O:7])[OH:8])([F:9])[F:10].[O:15]=[C:16]([OH:17])[N:18]1[CH2:19][CH2:20][CH:21]([n:24]2[n:25][cH:26][c:27]3[c:28]2[n:29][cH:30][n:31][c:32]3[O:33][c:34]2[cH:35][cH:36][c:37](-[n:40]3[n:41][n:42][n:43][c:44]3[CH3:45])[cH:38][cH:39]2)[CH2:22][CH2:23]1

Participants

5

Reactant 3

HCID 6344Dichloromethane2×HCID 6422Trifluoroacetic acidHCID 445144044-{4-[4-(5-Methyl-tetrazol-1-yl)-phenoxy]-pyrazolo[3,4-d]pyrimidin-1-yl}-piperidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 669153364-[4-[4-(5-Methyltetrazol-1-yl)phenoxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid

Sources & evidence

ORD record
ord-50062ae3d58b4566b8d59ab93a9f2cce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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